CID 6872300

303104-06-5

Structural Information

Molecular Formula
C17H16N4O2S
SMILES
CC1=C(NN=C1C2=CC=C(C=C2)OC)C(=O)N/N=C/C3=CC=CS3
InChI
InChI=1S/C17H16N4O2S/c1-11-15(12-5-7-13(23-2)8-6-12)19-20-16(11)17(22)21-18-10-14-4-3-9-24-14/h3-10H,1-2H3,(H,19,20)(H,21,22)/b18-10+
InChIKey
WSRIVCMPTCADGW-VCHYOVAHSA-N
Compound name
3-(4-methoxyphenyl)-4-methyl-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.0994 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.10668 178.9
[M+Na]+ 363.08862 190.3
[M+NH4]+ 358.13322 185.4
[M+K]+ 379.06256 185.5
[M-H]- 339.09212 183.6
[M+Na-2H]- 361.07407 186.8
[M]+ 340.09885 182.0
[M]- 340.09995 182.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.